5-(bromomethyl)-2-(trifluoromethyl)pyrimidine

C6H4BrF3N2 — CID 23080920

IUPAC5-(bromomethyl)-2-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ncc(CBr)cn1
InChIInChI=1S/C6H4BrF3N2/c7-1-4-2-11-5(12-3-4)6(8,9)10/h2-3H,1H2
InChIKeyLAZGEURDWNHKNA-UHFFFAOYSA-N
MW241.01 g/mol
LogP2.39
Rot. Bonds1

About 5-(bromomethyl)-2-(trifluoromethyl)pyrimidine

5-(bromomethyl)-2-(trifluoromethyl)pyrimidine (PubChem CID 23080920) has the molecular formula C6H4BrF3N2 and a molecular weight of 241.01 g/mol. Its IUPAC name is 5-(bromomethyl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-(bromomethyl)-2-(trifluoromethyl)pyrimidine
PubChem CID23080920
Molecular FormulaC6H4BrF3N2
Molecular Weight241.01 g/mol
Exact Mass239.95
IUPAC Name5-(bromomethyl)-2-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ncc(CBr)cn1
InChIInChI=1S/C6H4BrF3N2/c7-1-4-2-11-5(12-3-4)6(8,9)10/h2-3H,1H2
InChIKeyLAZGEURDWNHKNA-UHFFFAOYSA-N
XLogP2.39
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.01
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-(bromomethyl)-2-(trifluoromethyl)pyrimidine (CID 23080920) is 5-(bromomethyl)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-(bromomethyl)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-(bromomethyl)-2-(trifluoromethyl)pyrimidine is FC(F)(F)c1ncc(CBr)cn1.
What is the InChIKey of 5-(bromomethyl)-2-(trifluoromethyl)pyrimidine?
The InChIKey is LAZGEURDWNHKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF3N2/c7-1-4-2-11-5(12-3-4)6(8,9)10/h2-3H,1H2.
What are the key properties of 5-(bromomethyl)-2-(trifluoromethyl)pyrimidine?
5-(bromomethyl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 241.01 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 23080920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).